Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit

This paper proposes an impurity solver for the dynamical mean field theory （DMFT） study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA （local density approximation） ＋ DMFT studies of the Mort insulators with long range order.

Investigations on Nuclei near Z = 82 in Relativistic Mean Field Theory with FSUGold

In this work, the ground-state properties of Pt, Hg, Pb, and Po isotopes have been systematically investigated in the deformed relativistic mean field （RMF） theory with the new parameter set FSUGold. The calculated results show that FSUGold is as successful as NL3 in reproducing the ground-state binding energies of the nuclei in this region. The calculated two- neutron separation energies, quadrupole deformations, and root-mean-square charge radii are in agreement with the experimental data. The parameter set FSUGold can successfully describe the shell effect of the neutron magic number N = 126 and give smaller neutron skin thicknesses than NL3 for all the nuclei considered.

Development of mean-field electrical double layer theory

In order to understand the electric interfacial behavior, mean field based electric double layer （EDL） theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy-Chapman model to the symmetric Bikerman-Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice- gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversi0n among them can be achieved by reducing the basic assumptions.

Properties and structure of N=Z nuclei within relativistic mean field theory

The axially deformed relativistic mean field theory with the force NLSH has been performed in the blocked BCS approximation to investigate the properties and structure of N=Z nuclei from Z=20 to Z=48. Some ground state quantities such as binding energies, quadrupole deformations, one/two-nucleon separation energies, root-mean-square （rms） radii of charge and neutron, and shell gaps have been calculated. The results suggest that large deformations can be found in medium-heavy nuclei with N=Z=38-42. The charge and neutron rms radii increase rapidly beyond the magic number N=Z=28 until Z=42 with increasing nucleon number, which is similar to isotope shift, yet beyond Z=42, they decrease dramatically as the structure changes greatly from Z=42 to Z=43. The evolution of shell gaps with proton number Z can be clearly observed. Besides the appearance of possible new shell closures, some conventional shell closures have been found to disappear in some region. In addition, we found that the Coulomb interaction is not strong enough to breakdown the shell structure of protons in the current region.

Investigation of the Mg isotopes using the shell-model-like approach in relativistic mean field theory

Ground state properties for Mg isotopes, including binding energies, one- and two-neutron separation energies, pairing energies, nuclear matter radii and quadrupole deformation parameters, are obtained from the self- consistent relativistic mean field （RMF） model with the pairing correlations treated by a shell-mode-like approach （SLAP）, in which the particle-number is conserved and the blocking effects are treated exactly. The experimental data, including the binding energies and the one- and two-neutron separation energies, which are sensitive to the treatment of pairing correlations and block effects, are well reproduced by the RMF＋SLAP calculations.

A systematic study of the superdeformation of Pb isotopes with relativistic mean field theory

The microscopically constrained relativistic mean field theory is used to investigate the superdeformation for Pb isotopes. The calculations have been performed with the four different interactions NL3, PK1, TM1 and NLSH, and show that there exists a clear superdeformed minimum in the potential energy surfaces. The excitation energy, deformation and depth of the well in the superdef.ormed minimum are comparable for the four different interactions. Furthermore the trend for the change of the superdeformed excitation energy with neutron number is correctly reproduced. The calculated two-neutron separation energy in the ground state and superdeformed minimum together with their differences are in agreement with the available data. The larger energy difference appearing in the superdeformed minimum reflects a lower average level density at superdeformations for Pb isotopes.

Towards Lambda-nucleon coupling constants in relativistic mean field theory

New parameter sets for Λ-nucleon coupling in relativistic mean field theory are proposed based on nucleon-nucleon effective interaction PK1. Hypernuclear properties are described well through a systematical study. Effects of hyperon tensor coupling term on spin-orbit splitting are also investigated self-consistently.

Generalization of iterative perturbation theory and coherent potential approximation (ITP+CPA) to double exchange model with orbital degeneracy

A combination of the iterative perturbation theory （ITP） of the dynamical mean field theory （DMFT） and coherentpotential approximation （CPA） is generalized to the double exchange model with orbital degeneracy. The Hubbard interaction and the off-diagonal components for the hopping matrix tij^mn（m ≠ n） are considered in our calculation of spectrum and optical conductivity. The numerical results show that the effects of the non-diagonal hopping matrix elements are important.

Glassy phase and thermodynamics for random field Ising model on spherical lattice in magnetic field

Phase diagram and thermodynamic parameters of the random field Ising model （RFIM） on spherical lattice are studied by using mean field theory. This lattice is placed in an external magnetic field （B）. The random field （hi） is assumed to be Gaussian distributed with zero mean and a variance （hi2） = HRF2. The free energy （F）, the magnetization （M） and the order parameter （q） are calculated. The ferromagnetic （FM） spin-glass （SG） phase transition is clearly observed. The critical temperature （Tc） is computed under a critical intensity of random field HRF = V/2/πJ. The phase transition from FM to paramagnetic （PM） occurs at TC = J/k in the absence of magnetic field. The critical temperature decreases as HRF increases in the phase boundary of FM-to-SG. The magnetic susceptibility （X） shows a sharp cusp at TC and the specific heat （C） has a singularity in small random field. The internal energy （U） has a similar behaviour to that obtained from the Monte Carlo simulation.

Density-dependent relativistic mean field approach and its application to single-Λhypernuclei in oxygen hyperisotopes

The in-medium feature of nuclear force, which includes both nucleon-nucleon( NN) and hyperon-nucleon( ΛN) interactions, impacts the description of single-Λ hypernuclei. With the alternated mass number or isospin of hypernuclei, such effects may be unveiled by analyzing the systematic evolution of the bulk and single-particle properties. From a density-dependent meson-nucleon/hyperon coupling perspective, a new ΛN effective interaction in the covariant density functional(CDF) theory, namely, DD-LZ1-Λ1, is obtained by fitting the experimental data ofΛ separation energies for several single-Λ hypernuclei. It is then used to study the structure and transition properties of single-Λ hypernuclei in oxygen hyperisotopes, in comparison with those determined using several selected CDF Lagrangians. A discrepancy is explicitly observed in the isospin evolution of Λ1p spin-orbit splitting with various effective interactions, which is attributed to the divergence of the meson-hyperon coupling strengths with increasing density. In particular, the density-dependent CDFs introduce an extra contribution to reduce the value but enhance the isospin dependence of the splitting, which originates from the rearrangement terms of Λ self-energies. In addition, the characteristics of hypernuclear radii are studied along the isotopic chain. Owing to the impurity effect of theΛ hyperon, a size shrinkage is observed in the matter radii of hypernuclei compared with the cores of normal nuclei,and its magnitude is further elucidated to correlate with the incompressibility of nuclear matter. Moreover, there is a sizable model-dependent trend in which the Λ hyperon radii evolve with neutron number, which is decided partly by the in-medium NN interactions and core polarization effects.

An Improved Heterogeneous Mean-Field Theory for the Ising Model on Complex Networks

Heterogeneous mean-field theory is commonly used methodology to study dynamical processes on complex networks,such as epidemic spreading and phase transitions in spin models.In this paper,we propose an improved heterogeneous mean-field theory for studying the Ising model on complex networks.Our method shows a more accurate prediction in the critical temperature of the Ising model than the previous heterogeneous mean-field theory.The theoretical results are validated by extensive Monte Carlo simulations in various types of networks.

Deformation constrained relativistic mean-field approach with fixed configuration and time-odd component

Deformation constrained relativistic mean-field (RMF) approach with fixed configuration and timeodd component has been developed and applied to investigate magnetic moments of light nuclei near doublyclosed shells. Taking 17O as an example, the results and discussion are given in detail.

Effect of interaction and temperature on quantum phase transition in anisotropic square-octagon lattice

We investigate the effect of interaction, temperature, and anisotropic parameter on the quantum phase transitions in an anisotropic square-octagon lattice with fermions under the framework of the single band Hubbard model through using the combination of cellular dynamical mean field theory and a continuous time Monte Carlo algorithm. The competition between interaction and temperature shows that with the increase of the anisotropic parameter, the critical on-site repulsive interaction for the metal-insulator transition increases for fixed temperature. The interaction-anisotropic parameter phase diagram reveals that with the decrease of temperature, the critical anisotropic parameter for the Mott transition will increase for fixed interaction cases.

Shell evolution at N=20 in the constrained relativistic mean field approach

The shell evolution at N = 20, a disappearing neutron magic number observed experimentally in very neutron-rich nuclides, is investigated in the constrained relativistic mean field （RMF） theory. The trend of the shell closure observed experimentally towards the neutron drip-line can be reproduced. The predicted two-neutron separation energies, neutron shell gap energies and deformation parameters of ground states are shown as well. These results are compared with the recent Hartree-Fock-Bogliubov （HFB-14） model and the available experimental data. The perspective towards a better understanding of the shell evolution is discussed.

New method for calculating the Berry connection in atom-molecule systems

In the mean-field theory of atom-molecule systems, where the bosonic atoms combine to form molecules, there is no usual U（1） symmetry, which presents an apparent hurdle for calculating the Berry connection in these systems. We develop a perturbation expansion method of Hannay＇s angle suitable for calculating the Berry curvature in the atom- molecule systems. With this Berry curvature, the Berry connection can be computed naturally. We use a three-level atom-molecule system to illustrate our results. In particular, with this method, we compute the curvature for Hannay＇s angle analytically, and compare it to the Berry curvature obtained with the second-quantized model of the same system. An excellent agreement is found, indicating the validity of our method.

Effects of σ* and Φ mesons on the surface redshift of a neutron star

The effects of σ^＊ and Ф mesons on the surface redshift of a neutron star have been investigated within the framework of relativistic mean field theory for the baryon octet {n, p, ∧, ∑-,∑0, ∑＋, -, 0} system. It is found that compared with those without considering the contributions of σ^＊ and Ф mesons, the surface redshift decreases and that corresponding to the maximum value of the mass also decreases from 0.2540 to 0.2236, about by 12%. Meanwhile, it is also found that including σ^＊ and Ф mesons, the M/R and that corresponding to the maximum mass decrease.

Antimagnetic rotation in ^(108,110)In with tilted axis cranking relativistic mean-field approach

Based on tilted axis cranking relativistic mean-field theory within point-coupling interaction PC-PK1, the rotational structure and the characteristic features of antimagnetic rotation for AI = 2 bands in 108,110In are studied. Tilted axis cranking relativistic mean-field calculations reproduce the experimental energy spectrum well and are in agreement with the experimental I -w plot, although the calculated spin overestimates the experimental values. In addition, the two-shears-like mechanism in candidate antimagnetic rotation bands is clearly illustrated and the contributions from two-shears-like orbits, neutron （gd） orbits above Z = 50 shell and Z = 50, N = 50 core are investigated microscopically. The predicted B（E2）, dynamic moment of inertia ■ （2）, deformation parametersβ and γ, and ■ （2）/B（E2） ratios in tilted axis cranking relativistic mean-field calculations are discussed and the characteristic features of antimagnetic rotation for the bands before and after alignment are shown.

Massive neutron stars and A-hypernuclei in relativistic mean field models

Based on relativistic mean field（RMF） models, we study finite A-hypernuclei and massive neutron stars. The effective N-N interactions PK1 and TM1 are adopted, while the N-A interactions are constrained by reproducing the binding energy of A-hyperon at 1 s orbit of Λ^40Ca. It is found that the A-meson couplings follow a simple relation, indicating a fixed A potential well for symmetric nuclear matter at saturation densities, i.e., around VΛ=-29.786 MeV. With those interactions, a large mass range of Λ-hypernuclei can be described well. Furthermore,the masses of PSR J1614-2230 and PSR J0348＋0432 can be attained adopting the Λ-meson couplings gσΛ/gσN≥0.73,gωΛ/gωN≥0.80 for PK1 and gσΛ/gσN≥0.81,gωΛ/gωN≥0.90 for TM1, respectively. This resolves the hyperon puzzle without introducing any additional degrees of freedom.

Accurate treatments of electrostatics for computer simulations of biological systems: A brief survey of developments and existing problems

Modern computer simulations of biological systems often involve an explicit treatment of the complex interactions among a large number of molecules. While it is straightforward to compute the short-ranged Van der Waals interaction in classical molecular dynamics simulations, it has been a long-lasting issue to develop accurate methods for the longranged Coulomb interaction. In this short review, we discuss three types of methodologies for the accurate treatment of electrostatics in simulations of explicit molecules： truncation-type methods, Ewald-type methods, and mean-field-type methods. Throughout the discussion, we brief the formulations and developments of these methods, emphasize the intrinsic connections among the three types of methods, and focus on the existing problems which are often associated with the boundary conditions of electrostatics. This brief survey is summarized with a short perspective on future trends along the method developments and applications in the field of biological simulations.

Field theoretical approach to spin models

We developed a systematic non-perturbative method base on Dyson–Schwinger theory and theΦ-derivable theory for Ising model at broken phase.Based on these methods,we obtain critical temperature and spin spin correlation beyond mean field theory.The spectrum of Green function obtained from our methods become gapless at critical point,so the susceptibility become divergent at Tc.The critical temperature of Ising model obtained from this method is fairly good in comparison with other non-cluster methods.It is straightforward to extend this method to more complicate spin models for example with continue symmetry.